3-chloranyl-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethoxy]benzonitrile Formula: C17H16ClN5O2 MolecularWeight: 357.79424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H16ClN5O2/c18-14-10-13(11-19)2-3-15(14)25-12-16(24)22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10H,6-9,12H2